[no subject]
Hello, I have a solution that is not quite as magical as you would hope,
but
it is a step in the right direction. The current version of Mungauss (formerly
MONSTORGAUSS) is writen using OSIPE. OSIPE is a set of low level FORTRAN
object oriented tools. OSIPE manages the creation, cataloging and retrieving
objects created by the Mungauss program. The programmer does not need to
to know or care about the route - OSIPE will handle the building of any objectss
you will need. You need only ask for a desired object, and OSIPE will determine
whether it has been built: if it is, it will be retrieved, else it will call the
necessary routines to build it.
Objects in Mungauss can be scalars (e.g. total energy, dipole moment), vectors
(e.g. dipole vectors, Z-matrix parameters), matrices (e.g. density matrix,
Cartesian coordinates), or tensors.
The primary author of OSIPE and Mungauss is Dr. Raymond Poirier (Memorial
University of Newfoundland, Canada). If you are interested in this code, I
would recommend you contact him. His e-mail address is rpoirier "-at-"
morgan.ucs.mun.ca
Good luck,
James Xidos
Graduate Student
Memorial University of Newfoundland
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